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Home > Indoles and Oxindole > 172877-95-1
172877-95-1 | Pyrrolo[3,4-b]indole, 2,4-dihydro-2-(phenylmethyl)-4-(phenylsulfonyl)-
CAS No: 172877-95-1 Catalog No: AG007VNM MDL No:
Product Description
Catalog Number:
AG007VNM
Chemical Name:
Pyrrolo[3,4-b]indole, 2,4-dihydro-2-(phenylmethyl)-4-(phenylsulfonyl)-
CAS Number:
172877-95-1
Molecular Formula:
C23H18N2O2S
Molecular Weight:
386.4662
IUPAC Name:
4-(benzenesulfonyl)-2-benzylpyrrolo[3,4-b]indole
InChI:
InChI=1S/C23H18N2O2S/c26-28(27,19-11-5-2-6-12-19)25-22-14-8-7-13-20(22)21-16-24(17-23(21)25)15-18-9-3-1-4-10-18/h1-14,16-17H,15H2
InChI Key:
MPGNZGSPRFXSER-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1c2cn(cc2c2c1cccc2)Cc1ccccc1)c1ccccc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.469g/mol
Monoisotopic Mass:
386.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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